3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate
TL;DR: 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate (CAS 107407-62-5) is a chemical compound with molecular formula C22H25ClN2O4 and molecular weight 416.1503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;3-(9-chloro-5,6-dihydropyrrolo[1,2-c][3]benzazepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate
Technical Specifications
| Molecular Formula | C22H25ClN2O4 |
| Molecular Weight | 416.1503 g/mol |
| XLogP | 3.79 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1503 Da |
| Heavy Atoms | 29 |
| Complexity | 498.0 |
| SMILES | CN(C)CCC=C1C2=CC=CN2CCC3=C1C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O |
| InChIKey | VYRCMVSAQWJLPL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate
Property Insights of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate
The XLogP value of 3.79 indicates that 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate. Following Lipinski's Rule of Five, 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate?
The CAS number of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate is 107407-62-5.
What is the molecular formula of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate?
The molecular formula of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate is C22H25ClN2O4.
What is the molecular weight of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate?
The molecular weight of 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate is 416.1503 g/mol.
Where can I buy 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate?
You can request a quote for 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate?
Yes, CoreyChem provides custom synthesis services for 3-(9-Chloro-5,6-dihydro-11-H-pyrrolo(2,1-b))(3)benzazepine-11-ylidine-N,N-dimethyl-1-propanaminebutenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.